Chen Ke, Wang Shumin, Fu Shuyue, Zhang Yuxiao, Gao Wei, Liu Jin, Liu Rui, Lei Kang
Department of Biotechnology, The University of Suwon, Hwaseong 18323, Gyeonggi-Do, Republic of Korea.
School of Pharmaceutical Sciences and Food Engineering, Liaocheng University, Liaocheng 252059, China.
Molecules. 2025 Aug 21;30(16):3445. doi: 10.3390/molecules30163445.
In continuation of our efforts to identify novel herbicide lead compounds, twenty new 5-(1-amino-4-phenoxybutylidene)barbituric acid derivatives containing an enamino diketone motif were synthesized and evaluated for their herbicidal activities. The greenhouse bioassay results indicated that several of the target compounds, including , , , , and , exhibited notable post-emergence herbicidal activity, with sum inhibition rates exceeding 70% at a dosage of 150 g ha, which was superior to that of the commercial herbicide flumiclorac-pentyl (FP). The structure-activity relationship analysis demonstrated that the steric and electronic effects of the R group, as well as the lipophilicity of the target compounds, significantly influenced herbicidal activity. Among these, was identified as a promising herbicide lead compound due to its high total herbicidal efficacy, broad-spectrum activity, and favorable crop safety profile. Molecular simulation studies indicated that binds effectively to protoporphyrinogen IX oxidase (PPO), suggesting its potential as a novel PPO inhibitor. This study highlights as a promising lead compound for the development of novel PPO-inhibiting herbicides.
为继续致力于鉴定新型除草剂先导化合物，我们合成了20种含有烯氨基二酮基序的新型5-(1-氨基-4-苯氧基亚丁基)巴比妥酸衍生物，并对其除草活性进行了评估。温室生物测定结果表明，包括……在内的几种目标化合物表现出显著的苗后除草活性，在150 g/ha的剂量下，总抑制率超过70%，优于商业除草剂氟烯草酸戊酯（FP）。构效关系分析表明，R基团的空间和电子效应以及目标化合物的亲脂性对除草活性有显著影响。其中，……因其高总除草效果、广谱活性和良好的作物安全性而被确定为一种有前景的除草剂先导化合物。分子模拟研究表明，……与原卟啉原IX氧化酶（PPO）有效结合，表明其作为新型PPO抑制剂的潜力。本研究突出了……作为开发新型PPO抑制除草剂的有前景的先导化合物。
